Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1aqn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N SER 78.A O no hydrogen 3.157 N/A GLN 2.A NE2 ASN 76.A OD1 no hydrogen 2.843 N/A SER 3.A N GLY 80.A O no hydrogen 2.819 N/A TYR 6.A OH VAL 203.A O no hydrogen 2.564 N/A VAL 8.A N PRO 5.A O no hydrogen 3.058 N/A GLN 10.A N TYR 6.A O no hydrogen 2.822 N/A GLN 10.A NE2 ASP 181.A O no hydrogen 3.122 N/A GLN 10.A NE2 ASN 184.A OD1 no hydrogen 2.602 N/A ILE 11.A N GLY 7.A O no hydrogen 3.184 N/A LYS 12.A N SER 9.A O no hydrogen 2.928 N/A ALA 13.A N VAL 8.A O no hydrogen 3.235 N/A ALA 15.A N LYS 12.A O no hydrogen 3.384 N/A LEU 16.A N ALA 13.A O no hydrogen 2.986 N/A HIS 17.A N ALA 13.A O no hydrogen 3.145 N/A HIS 17.A NE2 VAL 84.A O no hydrogen 2.807 N/A SER 18.A N PRO 14.A O no hydrogen 2.921 N/A SER 18.A OG PRO 14.A O no hydrogen 3.242 N/A GLN 19.A N LEU 16.A O no hydrogen 2.944 N/A GLY 20.A N HIS 17.A O no hydrogen 2.979 N/A TYR 21.A N LEU 16.A O no hydrogen 2.961 N/A CYS 22.A SG SER 24.A OG no hydrogen 3.778 N/A GLY 23.A N SER 236.A OG no hydrogen 3.231 N/A VAL 26.A N GLY 23.A O no hydrogen 2.930 N/A LYS 27.A N ASP 120.A OD2 no hydrogen 2.770 N/A VAL 28.A N SER 89.A O no hydrogen 2.819 N/A ALA 29.A N VAL 121.A O no hydrogen 2.746 N/A VAL 30.A N TYR 91.A O no hydrogen 2.848 N/A ILE 31.A N ASN 123.A O no hydrogen 2.972 N/A ASP 32.A N VAL 93.A O no hydrogen 3.036 N/A SER 33.A N ASP 32.A OD1 no hydrogen 2.681 N/A SER 33.A OG ASP 60.A OD1 no hydrogen 2.762 N/A ILE 35.A N PRO 57.A O no hydrogen 3.111 N/A ASP 36.A N THR 66.A OG1 no hydrogen 2.986 N/A SER 37.A N PHE 58.A O no hydrogen 3.435 N/A SER 38.A N ASP 36.A OD1 no hydrogen 3.082 N/A SER 38.A OG ASP 36.A OD1 no hydrogen 2.575 N/A SER 38.A OG ASP 36.A OD2 no hydrogen 3.436 N/A HIS 39.A N ASP 36.A O no hydrogen 3.247 N/A HIS 39.A NE2 LYS 213.A O no hydrogen 2.938 N/A ASP 41.A N HIS 39.A ND1 no hydrogen 2.924 N/A LEU 42.A N HIS 39.A O no hydrogen 3.028 N/A ALA 45.A N LEU 90.A O no hydrogen 2.755 N/A ALA 48.A N ALA 92.A O no hydrogen 2.911 N/A SER 49.A OG GLU 54.A O no hydrogen 2.567 N/A PHE 50.A N LYS 94.A O no hydrogen 2.755 N/A VAL 51.A N SER 49.A OG no hydrogen 3.231 N/A GLU 54.A N VAL 51.A O no hydrogen 3.131 N/A PHE 58.A N ASN 56.A OD1 no hydrogen 2.906 N/A GLN 59.A N ASN 56.A O no hydrogen 3.444 N/A ASN 61.A ND2 GLU 54.A OE1 no hydrogen 3.165 N/A ASN 62.A N ASP 60.A OD1 no hydrogen 2.954 N/A ASN 62.A ND2 ALA 98.A O no hydrogen 2.832 N/A SER 63.A N ASP 60.A OD1 no hydrogen 2.846 N/A SER 63.A OG ASN 62.A O no hydrogen 2.572 N/A HIS 64.A N ASN 62.A OD1 no hydrogen 3.019 N/A HIS 64.A ND1 ASP 32.A OD1 no hydrogen 2.716 N/A HIS 64.A NE2 SER 221.A OG no hydrogen 2.871 N/A GLY 65.A N SER 33.A OG no hydrogen 2.871 N/A THR 66.A N ASP 60.A OD2 no hydrogen 2.910 N/A THR 66.A OG1 ASP 60.A OD2 no hydrogen 2.555 N/A HIS 67.A N SER 63.A O no hydrogen 3.191 N/A HIS 67.A NE2 GLY 215.A O no hydrogen 2.965 N/A VAL 68.A N HIS 64.A O no hydrogen 2.972 N/A ALA 69.A N GLY 65.A O no hydrogen 2.840 N/A GLY 70.A N THR 66.A O no hydrogen 2.972 N/A THR 71.A N HIS 67.A O no hydrogen 3.233 N/A THR 71.A N VAL 68.A O no hydrogen 3.045 N/A VAL 72.A N VAL 68.A O no hydrogen 3.220 N/A ALA 73.A N ALA 69.A O no hydrogen 2.813 N/A ALA 74.A N GLY 70.A O no hydrogen 2.957 N/A LEU 75.A N ASP 41.A O no hydrogen 2.920 N/A ASN 77.A N GLN 2.A OE1 no hydrogen 2.876 N/A ASN 77.A ND2 ASP 41.A OD1 no hydrogen 2.791 N/A ILE 79.A N ASN 77.A OD1 no hydrogen 3.115 N/A VAL 81.A N ASP 41.A OD2 no hydrogen 2.975 N/A GLY 83.A N ALA 74.A O no hydrogen 2.856 N/A VAL 84.A N THR 71.A O no hydrogen 2.756 N/A ALA 85.A N VAL 72.A O no hydrogen 2.735 N/A CYS 87.A N CYS 22.A O no hydrogen 2.948 N/A ALA 88.A N ALA 85.A O no hydrogen 3.085 N/A SER 89.A N VAL 26.A O no hydrogen 2.764 N/A TYR 91.A N VAL 28.A O no hydrogen 2.892 N/A ALA 92.A N GLY 46.A O no hydrogen 2.966 N/A VAL 93.A N VAL 30.A O no hydrogen 3.024 N/A LYS 94.A N ALA 48.A O no hydrogen 2.848 N/A LYS 94.A NZ GLU 54.A OE1 no hydrogen 2.844 N/A LYS 94.A NZ ASN 56.A O no hydrogen 3.425 N/A LYS 94.A NZ GLN 59.A O no hydrogen 2.719 N/A VAL 95.A N ASP 32.A O no hydrogen 2.863 N/A LEU 96.A N ASP 32.A O no hydrogen 3.109 N/A GLY 97.A N SER 101.A O no hydrogen 2.992 N/A ALA 98.A N GLU 54.A OE2 no hydrogen 2.850 N/A GLY 100.A N GLY 97.A O no hydrogen 2.779 N/A SER 101.A N ASP 99.A OD1 no hydrogen 2.944 N/A SER 101.A OG ASP 99.A OD1 no hydrogen 2.765 N/A SER 101.A OG ASP 99.A OD2 no hydrogen 3.535 N/A TYR 104.A OH SER 130.A O no hydrogen 2.401 N/A ILE 107.A N GLN 103.A O no hydrogen 3.151 N/A ILE 108.A N TYR 104.A O no hydrogen 2.896 N/A ASN 109.A N SER 105.A O no hydrogen 2.958 N/A GLY 110.A N TRP 106.A O no hydrogen 3.006 N/A ILE 111.A N ILE 107.A O no hydrogen 2.892 N/A GLU 112.A N ILE 108.A O no hydrogen 2.841 N/A TRP 113.A N ASN 109.A O no hydrogen 2.850 N/A ALA 114.A N GLY 110.A O no hydrogen 2.919 N/A ILE 115.A N ILE 111.A O no hydrogen 3.105 N/A ALA 116.A N GLU 112.A O no hydrogen 3.058 N/A ASN 117.A N TRP 113.A O no hydrogen 2.998 N/A ASN 117.A ND2 TRP 113.A O no hydrogen 2.925 N/A ASN 118.A N ILE 115.A O no hydrogen 3.195 N/A ASN 118.A ND2 ILE 115.A O no hydrogen 3.688 N/A MET 119.A N ALA 114.A O no hydrogen 3.019 N/A ASP 120.A N LYS 27.A O no hydrogen 2.745 N/A VAL 121.A N LYS 27.A O no hydrogen 3.021 N/A ILE 122.A N VAL 148.A O no hydrogen 2.737 N/A ASN 123.A N ALA 29.A O no hydrogen 2.864 N/A ASN 123.A ND2 SER 125.A OG no hydrogen 3.050 N/A MET 124.A N VAL 150.A O no hydrogen 2.876 N/A SER 125.A OG SER 221.A O no hydrogen 2.747 N/A GLY 128.A N TYR 167.A O no hydrogen 2.850 N/A SER 132.A N TYR 171.A OH no hydrogen 3.139 N/A LEU 135.A N SER 132.A OG no hydrogen 3.078 N/A LYS 136.A N SER 132.A O no hydrogen 2.946 N/A LYS 136.A NZ ASP 140.A OD2 no hydrogen 2.646 N/A ALA 137.A N ALA 133.A O no hydrogen 2.896 N/A ALA 138.A N ALA 134.A O no hydrogen 3.091 N/A VAL 139.A N LEU 135.A O no hydrogen 3.171 N/A ASP 140.A N LYS 136.A O no hydrogen 2.970 N/A LYS 141.A N ALA 137.A O no hydrogen 2.837 N/A LYS 141.A NZ GLU 112.A OE1 no hydrogen 2.638 N/A LYS 141.A NZ GLU 112.A OE2 no hydrogen 3.204 N/A ALA 142.A N ALA 138.A O no hydrogen 2.997 N/A VAL 143.A N VAL 139.A O no hydrogen 3.060 N/A ALA 144.A N ASP 140.A O no hydrogen 2.841 N/A SER 145.A N LYS 141.A O no hydrogen 2.880 N/A SER 145.A N ALA 142.A O no hydrogen 3.162 N/A SER 145.A OG LYS 141.A O no hydrogen 2.884 N/A GLY 146.A N VAL 143.A O no hydrogen 2.973 N/A VAL 147.A N ALA 142.A O no hydrogen 2.848 N/A VAL 148.A N ASP 120.A O no hydrogen 2.966 N/A VAL 150.A N ILE 122.A O no hydrogen 2.928 N/A ALA 151.A N ILE 175.A O no hydrogen 2.881 N/A ALA 152.A N MET 124.A O no hydrogen 3.036 N/A ALA 153.A N VAL 177.A O no hydrogen 2.972 N/A GLY 154.A N THR 220.A OG1 no hydrogen 3.073 N/A GLU 156.A N SER 191.A OG no hydrogen 3.134 N/A GLY 157.A N PHE 189.A O no hydrogen 2.851 N/A SER 162.A N SER 159.A O no hydrogen 3.126 N/A SER 163.A OG VAL 192.A O no hydrogen 3.458 N/A SER 163.A OG GLU 195.A OE1 no hydrogen 2.623 N/A SER 163.A OG GLU 195.A OE2 no hydrogen 3.534 N/A THR 164.A N VAL 192.A O no hydrogen 2.698 N/A THR 164.A OG1 GLY 157.A O no hydrogen 2.685 N/A VAL 165.A N SER 163.A OG no hydrogen 3.190 N/A GLY 166.A N ALA 153.A O no hydrogen 3.045 N/A TYR 167.A N GLY 128.A O no hydrogen 2.792 N/A LYS 170.A N GLY 166.A O no hydrogen 2.887 N/A LYS 170.A NZ SER 163.A OG no hydrogen 2.901 N/A LYS 170.A NZ VAL 165.A O no hydrogen 2.699 N/A TYR 171.A N PRO 168.A O no hydrogen 2.999 N/A SER 173.A OG ASP 140.A OD1 no hydrogen 2.875 N/A VAL 174.A N TYR 171.A O no hydrogen 3.024 N/A ILE 175.A N VAL 149.A O no hydrogen 2.996 N/A ALA 176.A N ASP 197.A OD2 no hydrogen 2.844 N/A VAL 177.A N ALA 151.A O no hydrogen 2.909 N/A GLY 178.A N VAL 198.A O no hydrogen 2.814 N/A ALA 179.A N SER 190.A OG no hydrogen 2.922 N/A VAL 180.A N ALA 200.A O no hydrogen 2.899 N/A ASP 181.A N GLN 185.A O no hydrogen 2.852 N/A SER 183.A N ASP 181.A OD1 no hydrogen 2.825 N/A SER 183.A OG ASP 181.A OD1 no hydrogen 2.622 N/A ASN 184.A N ASP 181.A O no hydrogen 3.047 N/A GLN 185.A N ASP 181.A OD1 no hydrogen 3.151 N/A ARG 186.A N TYR 263.A OH no hydrogen 3.299 N/A ARG 186.A NH2 SER 190.A O no hydrogen 2.791 N/A ALA 187.A N ALA 179.A O no hydrogen 3.016 N/A SER 190.A N ALA 187.A O no hydrogen 3.099 N/A SER 191.A N GLY 154.A O no hydrogen 2.977 N/A SER 191.A OG THR 164.A O no hydrogen 2.893 N/A VAL 192.A N THR 164.A OG1 no hydrogen 3.017 N/A GLY 193.A N PHE 261.A O no hydrogen 2.893 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 2.898 N/A LEU 196.A N GLY 193.A O no hydrogen 3.069 N/A ASP 197.A N ALA 176.A O no hydrogen 3.089 N/A VAL 198.A N ALA 176.A O no hydrogen 3.279 N/A MET 199.A N GLY 266.A O no hydrogen 2.853 N/A ALA 200.A N GLY 178.A O no hydrogen 3.079 N/A GLY 202.A N VAL 180.A O no hydrogen 2.889 N/A VAL 203.A N TYR 6.A OH no hydrogen 3.353 N/A SER 204.A N SER 218.A OG no hydrogen 2.729 N/A ILE 205.A N LYS 217.A O no hydrogen 2.770 N/A SER 207.A N GLY 215.A O no hydrogen 2.939 N/A SER 207.A OG HIS 67.A O no hydrogen 2.652 N/A THR 208.A N SER 207.A OG no hydrogen 2.751 N/A THR 208.A OG1 THR 66.A O no hydrogen 2.727 N/A LEU 209.A N LYS 213.A O no hydrogen 2.832 N/A GLY 211.A N ASP 36.A OD2 no hydrogen 3.056 N/A LYS 213.A N LEU 209.A O no hydrogen 3.115 N/A GLY 215.A N SER 207.A O no hydrogen 3.009 N/A LYS 217.A N ILE 205.A O no hydrogen 3.106 N/A LYS 217.A NZ SER 63.A OG no hydrogen 3.091 N/A GLY 219.A N GLY 202.A O no hydrogen 2.762 N/A THR 220.A N ASN 155.A OD1 no hydrogen 2.922 N/A THR 220.A OG1 ASN 155.A OD1 no hydrogen 2.944 N/A SER 221.A OG HIS 64.A NE2 no hydrogen 2.871 N/A SER 221.A OG SER 125.A O no hydrogen 3.455 N/A MET 222.A N GLY 219.A O no hydrogen 3.021 N/A ALA 223.A N THR 220.A O no hydrogen 3.228 N/A SER 224.A N THR 220.A O no hydrogen 3.142 N/A SER 224.A OG ASN 123.A OD1 no hydrogen 2.803 N/A HIS 226.A N ALA 223.A O no hydrogen 2.922 N/A HIS 226.A ND1 MET 222.A O no hydrogen 2.926 N/A ALA 228.A N SER 224.A O no hydrogen 2.954 N/A GLY 229.A N PRO 225.A O no hydrogen 2.880 N/A ALA 230.A N HIS 226.A O no hydrogen 2.951 N/A ALA 231.A N VAL 227.A O no hydrogen 3.009 N/A ALA 232.A N ALA 228.A O no hydrogen 3.102 N/A LEU 233.A N GLY 229.A O no hydrogen 2.942 N/A ILE 234.A N ALA 230.A O no hydrogen 3.054 N/A LEU 235.A N ALA 231.A O no hydrogen 3.062 N/A SER 236.A N ALA 232.A O no hydrogen 3.168 N/A SER 236.A N LEU 233.A O no hydrogen 3.175 N/A SER 236.A OG LEU 233.A O no hydrogen 2.758 N/A LYS 237.A N LEU 233.A O no hydrogen 3.206 N/A LYS 237.A NZ GLN 275.A O no hydrogen 2.682 N/A LYS 237.A NZ GLN 275.A OXT no hydrogen 3.080 N/A HIS 238.A N ILE 234.A O no hydrogen 2.759 N/A HIS 238.A NE2 ALA 274.A O no hydrogen 2.630 N/A TRP 241.A N HIS 238.A O no hydrogen 3.074 N/A THR 242.A N GLN 245.A OE1 no hydrogen 2.848 N/A THR 242.A OG1 GLN 245.A OE1 no hydrogen 3.355 N/A ASN 243.A ND2 VAL 143.A O no hydrogen 2.869 N/A ASN 243.A ND2 VAL 147.A O no hydrogen 2.963 N/A THR 244.A OG1 ASN 243.A OD1 no hydrogen 3.506 N/A GLN 245.A N THR 242.A OG1 no hydrogen 3.129 N/A VAL 246.A N THR 242.A O no hydrogen 3.019 N/A ARG 247.A N ASN 243.A O no hydrogen 2.938 N/A ARG 247.A NE GLU 251.A OE2 no hydrogen 2.827 N/A ARG 247.A NH1 PRO 172.A O no hydrogen 2.928 N/A ARG 247.A NH2 GLU 251.A OE2 no hydrogen 2.889 N/A SER 248.A N THR 244.A O no hydrogen 2.865 N/A SER 248.A OG.A THR 244.A O no hydrogen 3.197 N/A SER 249.A N GLN 245.A O no hydrogen 3.074 N/A SER 249.A OG ALA 273.A O no hydrogen 2.444 N/A LEU 250.A N VAL 246.A O no hydrogen 3.095 N/A GLU 251.A N ARG 247.A O no hydrogen 3.034 N/A ASN 252.A N SER 248.A O no hydrogen 2.720 N/A THR 253.A OG1 SER 249.A O no hydrogen 2.687 N/A THR 254.A OG1 GLU 251.A O no hydrogen 3.474 N/A THR 254.A OG1 LYS 265.A O no hydrogen 2.708 N/A THR 255.A N LEU 267.A O no hydrogen 2.809 N/A PHE 261.A N ASP 259.A OD2 no hydrogen 2.961 N/A TYR 262.A N ASP 259.A O no hydrogen 2.886 N/A TYR 263.A N ASP 259.A O no hydrogen 2.809 N/A GLY 264.A N SER 260.A O no hydrogen 2.801 N/A LYS 265.A N ASP 197.A O no hydrogen 2.748 N/A GLY 266.A N TYR 263.A O no hydrogen 2.880 N/A LEU 267.A N THR 255.A O no hydrogen 2.911 N/A ILE 268.A N MET 199.A O no hydrogen 3.334 N/A VAL 270.A N ILE 11.A O no hydrogen 2.951 N/A ALA 272.A N ASN 269.A OD1 no hydrogen 3.091 N/A ALA 273.A N ASN 269.A O no hydrogen 3.027 N/A ALA 274.A N VAL 270.A O no hydrogen 2.898 N/A GLN 275.A N ALA 272.A O no hydrogen 3.238 N/A GLN 275.A NE2 SER 249.A OG no hydrogen 3.066 N/A GLN 275.A NE2 ALA 273.A O no hydrogen 3.611 N/A